Electronic Structure and Spectral Characteristics of the Mn3Al Compound

Results of calculations of the electronic structure and studies of the optical properties of the Mn 3 Al compound in the two-phase crystalline state are reported. The calculated densities of electron states are determined by the wide (~8 eV) 3 d band of Mn atoms; the Fermi level is localized within the range of high densities of states. The nature of quantum light absorption is discussed based on the comparison of experimental and theoretical spectra of the interband optical conductivity. It is shown that the calculated structure of energy bands of the compound allows us to qualitatively interpret the frequency dispersion of this spectral parameter.